ethyl 4-[4-[(2-methoxy-5-nitro-phenyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[(2-methoxy-5-nitro-phenyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[(2-methoxy-5-nitro-phenyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[(2-methoxy-5-nitroanilino)-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(2-methoxy-5-nitrophenyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[(2-methoxy-5-nitro-phenyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C21H24N4O8S MolecularWeight: 492.50226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H24N4O8S/c1-3-33-21(27)23-10-12-24(13-11-23)34(30,31)17-7-4-15(5-8-17)20(26)22-18-14-16(25(28)29)6-9-19(18)32-2/h4-9,14H,3,10-13H2,1-2H3,(H,22,26)